1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C16H27N3O2 — CID 45205309

IUPAC1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCCc1noc(CN(CC2CCC2)CC2CCCO2)n1
InChIInChI=1S/C16H27N3O2/c1-2-5-15-17-16(21-18-15)12-19(10-13-6-3-7-13)11-14-8-4-9-20-14/h13-14H,2-12H2,1H3
InChIKeyAINUODGHLQMHCH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.80
Rot. Bonds8

About 1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 45205309) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID45205309
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCCc1noc(CN(CC2CCC2)CC2CCCO2)n1
InChIInChI=1S/C16H27N3O2/c1-2-5-15-17-16(21-18-15)12-19(10-13-6-3-7-13)11-14-8-4-9-20-14/h13-14H,2-12H2,1H3
InChIKeyAINUODGHLQMHCH-UHFFFAOYSA-N
XLogP2.80
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(Cyclobutylmethyl){[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}(tetrahydro-2-furanylmethyl)amine
CID 16190123
N-methyl-N-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 16190461
1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 45876449
2-(3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 49745066
5-((Diethylamino)methyl)-3-(5-(hydroxy(oxido)amino)tetrahydro-2-furanyl)-1,2,4-oxadiazole
CID 379972
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 91828977
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine
CID 95121051
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 124749636
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[(2S)-oxolan-2-yl]methanamine
CID 127923306
N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]tetrahydrofuran-2-carboxamide
CID 50953529
2-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
CID 72115349
6-N-butyl-3-methyl-6-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-(oxolan-2-ylmethyl)-1-N-propan-2-ylheptane-1,6-diamine
CID 156850112

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 45205309) is 1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CCCc1noc(CN(CC2CCC2)CC2CCCO2)n1.
What is the InChIKey of 1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is AINUODGHLQMHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-5-15-17-16(21-18-15)12-19(10-13-6-3-7-13)11-14-8-4-9-20-14/h13-14H,2-12H2,1H3.
What are the key properties of 1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 293.41 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(oxolan-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 45205309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).